⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1205854 | 0.72 | — | — | |
| SCHEMBL20844025 | 0.68 | — | — | |
| SCHEMBL13162512 | 0.64 | NR2F2 (0.38) | — | |
| SCHEMBL13682952 | 0.64 | — | — | |
| SCHEMBL22421339 | 0.61 | — | — | |
| SCHEMBL17156157 | 0.61 | LRRK2 (0.46) | — | |
| SCHEMBL3046045 | 0.59 | — | — | |
| SCHEMBL3499703 | 0.58 | — | — | |
| SCHEMBL17561029 | 0.53 | AKT2 (0.58) | — | |
| SCHEMBL20844143 | 0.53 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080261987-A1 | SUBSTITUTED PIPERAZINES | CHEMOCENTRYX, INC. (US) | 2008-10-23 | — | — | US | disclosed |